MgCdNi
Alexandria ALEXAlex-ID: agm005688258 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7631_spg46
MgCd3 MgCd MgNi2
2023-06-17 19:39:57.085481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688258).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005688258
data_agm005688258
_cell_length_a 5.11370
_cell_length_b 5.11370
_cell_length_c 5.24247
_cell_angle_alpha 105.55286
_cell_angle_beta 105.55286
_cell_angle_gamma 116.75841
_cell_volume 105.19140
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.17852 0.17852 0.35703 1.00000
Mg2 Mg 0.82148 0.82148 0.64297 1.00000
Cd1 Cd 0.32712 0.67288 1.00000 1.00000
Cd2 Cd 0.67288 0.32712 0.00000 1.00000
Ni1 Ni 0.75000 0.25000 0.50000 1.00000
Ni2 Ni 0.25000 0.75000 0.50000 1.00000
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